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88239-22-9 | 2-Pentenenitrile, 4-(acetyloxy)-3-amino-, (Z)-
CAS No: 88239-22-9 Catalog No: AG004B1K MDL No:
Product Description
Catalog Number:
AG004B1K
Chemical Name:
2-Pentenenitrile, 4-(acetyloxy)-3-amino-, (Z)-
CAS Number:
88239-22-9
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
IUPAC Name:
(3-amino-4-cyanobut-3-en-2-yl) acetate
InChI:
InChI=1S/C7H10N2O2/c1-5(11-6(2)10)7(9)3-4-8/h3,5H,9H2,1-2H3
InChI Key:
XSQNLRNRMYILOT-UHFFFAOYSA-N
SMILES:
CC(/C(=C/C#N)/N)OC(=O)C
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.169g/mol
Monoisotopic Mass:
154.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
-0.4
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